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{
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{
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{
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"structure_string": "Sb4 P4 H8 F40\n1.0\n11.298066 0.000000 0.000000\n0.000000 5.587358 0.000000\n0.000000 2.014213 13.643736\nSb P H F\n4 4 8 40\ndirect\n0.753231 0.653094 0.525341 Sb\n0.253231 0.346906 0.974659 Sb\n0.246769 0.346906 0.474659 Sb\n0.746769 0.653094 0.025341 Sb\n0.560846 0.080036 0.786035 P\n0.060846 0.919964 0.713965 P\n0.439154 0.919964 0.213965 P\n0.939154 0.080036 0.286035 P\n0.640668 0.195528 0.485559 H\n0.140668 0.804472 0.014441 H\n0.359332 0.804472 0.514441 H\n0.859332 0.195528 0.985559 H\n0.407052 0.737939 0.799985 H\n0.907052 0.262061 0.700015 H\n0.592948 0.262061 0.200015 H\n0.092948 0.737939 0.299985 H\n0.788182 0.702823 0.390444 F\n0.288182 0.297177 0.109556 F\n0.211818 0.297177 0.609556 F\n0.711818 0.702823 0.890444 F\n0.674988 0.560429 0.644863 F\n0.174988 0.439571 0.855137 F\n0.325012 0.439571 0.355137 F\n0.825012 0.560429 0.144863 F\n0.630308 0.373717 0.477890 F\n0.130308 0.626283 0.022110 F\n0.369692 0.626283 0.522110 F\n0.869692 0.373717 0.977890 F\n0.634876 0.909951 0.495691 F\n0.134876 0.090049 0.004309 F\n0.365124 0.090049 0.504309 F\n0.865124 0.909951 0.995691 F\n0.863776 0.871976 0.565479 F\n0.363776 0.128024 0.934521 F\n0.136224 0.128024 0.434521 F\n0.636224 0.871976 0.065479 F\n0.860891 0.389159 0.551201 F\n0.360891 0.610841 0.948799 F\n0.139109 0.610841 0.448799 F\n0.639109 0.389159 0.051201 F\n0.605622 0.257988 0.267901 F\n0.105622 0.742012 0.232099 F\n0.394378 0.742012 0.732099 F\n0.894378 0.257988 0.767901 F\n0.635352 0.265126 0.839793 F\n0.135352 0.734874 0.660207 F\n0.364648 0.734874 0.160207 F\n0.864648 0.265126 0.339793 F\n0.477456 0.271622 0.721946 F\n0.977456 0.728378 0.778054 F\n0.522544 0.728378 0.278054 F\n0.022544 0.271622 0.221946 F\n0.654341 0.048173 0.701501 F\n0.154341 0.951827 0.798499 F\n0.345659 0.951827 0.298499 F\n0.845659 0.048173 0.201501 F\n",
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"formula_full": "Ba4 Nd8 Ti12 O40",
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"band_gap": 2.2543,
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"updated_at": "2021-11-28T01:34:25.075000Z",
"spacegroup": 11
},
{
"id": "mp-553918",
"created_at": "2022-09-04T14:43:51.101829Z",
"structure_string": "Eu8 B20 Cl4 O36\n1.0\n6.569682 0.000000 0.000000\n0.000000 11.405924 0.000000\n0.000000 0.000000 11.498064\nEu B Cl O\n8 20 4 36\ndirect\n0.331917 0.758906 0.973743 Eu\n0.494488 0.546534 0.247324 Eu\n0.994488 0.953466 0.747324 Eu\n0.994488 0.046534 0.252676 Eu\n0.494488 0.453466 0.752676 Eu\n0.831917 0.741094 0.473743 Eu\n0.831917 0.258906 0.526257 Eu\n0.331917 0.241094 0.026257 Eu\n0.190164 0.323135 0.273055 B\n0.338535 0.201671 0.686113 B\n0.964741 0.496542 0.253192 B\n0.298598 0.767890 0.537736 B\n0.798598 0.267890 0.962264 B\n0.464741 0.996542 0.246808 B\n0.964741 0.503458 0.746808 B\n0.838535 0.701671 0.813887 B\n0.338535 0.798329 0.313887 B\n0.838535 0.298329 0.186113 B\n0.021538 0.717938 0.208459 B\n0.021538 0.282062 0.791541 B\n0.464741 0.003458 0.753192 B\n0.690164 0.176865 0.773055 B\n0.190164 0.676865 0.726945 B\n0.521538 0.782062 0.708459 B\n0.690164 0.823135 0.226945 B\n0.298598 0.232110 0.462264 B\n0.798598 0.732110 0.037736 B\n0.521538 0.217938 0.291541 B\n0.888784 0.000000 0.500000 Cl\n0.139785 0.000000 0.000000 Cl\n0.639785 0.500000 0.500000 Cl\n0.388784 0.500000 0.000000 Cl\n0.649459 0.048691 0.785101 O\n0.149459 0.548691 0.714899 O\n0.237438 0.229348 0.575400 O\n0.489891 0.208148 0.421395 O\n0.489891 0.791852 0.578605 O\n0.311448 0.926464 0.289219 O\n0.737438 0.729348 0.924600 O\n0.422412 0.886131 0.767990 O\n0.143839 0.262785 0.385149 O\n0.241323 0.274134 0.777407 O\n0.643839 0.237215 0.885149 O\n0.922412 0.386131 0.732010 O\n0.907083 0.182155 0.743705 O\n0.241323 0.725866 0.222593 O\n0.907083 0.817845 0.256295 O\n0.237438 0.770652 0.424600 O\n0.311448 0.073536 0.710781 O\n0.811448 0.573536 0.789219 O\n0.649459 0.951309 0.214899 O\n0.149459 0.451309 0.285101 O\n0.558942 0.769949 0.317665 O\n0.741323 0.774134 0.722593 O\n0.989891 0.708148 0.078605 O\n0.737438 0.270652 0.075400 O\n0.407083 0.317845 0.243705 O\n0.643839 0.762785 0.114851 O\n0.058942 0.269949 0.182335 O\n0.558942 0.230051 0.682335 O\n0.407083 0.682155 0.756295 O\n0.811448 0.426464 0.210781 O\n0.058942 0.730051 0.817665 O\n0.741323 0.225866 0.277407 O\n0.143839 0.737215 0.614851 O\n0.422412 0.113869 0.232010 O\n0.989891 0.291852 0.921395 O\n0.922412 0.613869 0.267990 O\n",
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}
]
}